Consensus flow list

Mefenpyr

fo-796c5dda59811754

Identity

Type
NeutralMolecule
CAS
135591-00-3
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
21 across every transformer

Structure

Structure diagram for Mefenpyr

What it is used for

1

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XEJNEDVTJPXRSM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H10Cl2N2O4/c1-12(11(19)20)5-8(10(17)18)15-16(12)9-3-2-6(13)4-7(9)14/h2-4H,5H2,1H3,(H,17,18)(H,19,20)
IUPAC name chemrof:IUPAC_name (RS)-1-(2,4-dichlorophenyl)-5-methyl-2-pyrazoline-3,5-dicarboxylic acid
Molecular formula chemrof:molecular_formula C12H10Cl2N2O4
Molecular mass chemrof:molecular_mass 317.128
Monoisotopic mass chemrof:monoisotopic_mass 316.001762
SMILES string chemrof:smiles_string CC1(C(=O)O)CC(C(=O)O)=NN1c1ccc(Cl)cc1Cl

Known URLs

10

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=135591-00-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133764 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133767 enrich_references.chebi_id_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10869847 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/H89W79622K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.597.321H enrich_references.pubchem_identifier_url
pesticides pesticides:mefenpyr enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4131668 enrich_references.pubchem_compound
reaxys reaxys:11322196 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q3332749 enrich_references.pubchem_identifier_url

Elementary flows

1
Flow Context Source Unit CFs
766cf44e-a794-4820-85a1-288eb765ca37 Environmental → Ground → Agricultural EF 3.1 kg 0

History

Everything that changed this substance (21 changes)

Open the changes page

Full record

Flow object JSON 
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      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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